CID 165946403

2703780-17-8

Structural Information

Molecular Formula
C7H10F2O2
SMILES
COC1(CC(C1)C=O)C(F)F
InChI
InChI=1S/C7H10F2O2/c1-11-7(6(8)9)2-5(3-7)4-10/h4-6H,2-3H2,1H3
InChIKey
BAUKYKQGOUYGTO-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-3-methoxycyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 130.8
[M+Na]+ 187.05410 137.7
[M-H]- 163.05760 132.2
[M+NH4]+ 182.09870 147.0
[M+K]+ 203.02804 140.2
[M+H-H2O]+ 147.06214 120.7
[M+HCOO]- 209.06308 150.2
[M+CH3COO]- 223.07873 181.7
[M+Na-2H]- 185.03955 135.1
[M]+ 164.06433 138.0
[M]- 164.06543 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.